2-(3,3-dimethylpiperidin-2-yl)acetic acid

C9H17NO2 — CID 10631009

IUPAC2-(3,3-dimethylpiperidin-2-yl)acetic acid
SMILESCC1(C)CCCNC1CC(=O)O
InChIInChI=1S/C9H17NO2/c1-9(2)4-3-5-10-7(9)6-8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyDFPROGQZIQIJPV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds2

About 2-(3,3-dimethylpiperidin-2-yl)acetic acid

2-(3,3-dimethylpiperidin-2-yl)acetic acid (PubChem CID 10631009) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3,3-dimethylpiperidin-2-yl)acetic acid
PubChem CID10631009
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(3,3-dimethylpiperidin-2-yl)acetic acid
SMILESCC1(C)CCCNC1CC(=O)O
InChIInChI=1S/C9H17NO2/c1-9(2)4-3-5-10-7(9)6-8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyDFPROGQZIQIJPV-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
CID 130690433
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
CID 114083886
3,3-dimethyl-2-(pyrrolidin-1-ylmethyl)piperidine
CID 15165790
2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
CID 114083921
2-(1,3-diazinan-2-yl)acetic acid
CID 91095230
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
2-[(3,3-dimethylpiperidin-2-yl)methyl]-2-azaspiro[3.5]nonane
CID 114083981
1-cyclopentyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]methanesulfonamide
CID 119052640

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperidin-2-yl)acetic acid?
The IUPAC name of 2-(3,3-dimethylpiperidin-2-yl)acetic acid (CID 10631009) is 2-(3,3-dimethylpiperidin-2-yl)acetic acid.
What is the SMILES notation for 2-(3,3-dimethylpiperidin-2-yl)acetic acid?
The canonical SMILES for 2-(3,3-dimethylpiperidin-2-yl)acetic acid is CC1(C)CCCNC1CC(=O)O.
What is the InChIKey of 2-(3,3-dimethylpiperidin-2-yl)acetic acid?
The InChIKey is DFPROGQZIQIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2)4-3-5-10-7(9)6-8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(3,3-dimethylpiperidin-2-yl)acetic acid?
2-(3,3-dimethylpiperidin-2-yl)acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperidin-2-yl)acetic acid is sourced from PubChem (CID 10631009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).